Glycoside
GD127110
Name:
Galangin 3-O-Beta-D-Glucoside-8-SulfonateFormula:
C21H20O13SSmiles:
O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccccc2)oc2c(S(=O)(=O)O)c(O)cc(O)c12Aglycone:
O=c1c(O)c(-c2ccccc2)oc2c(S(=O)(=O)O)c(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 512.45 | Num_heavy_atoms: | 35 |
| TPSA: | 224.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD51460
Formula: C15H10O8S
Smiles:
O=c1c(O)c(-c2ccccc2)oc2c(S(=O)(=O)O)c(O)cc(O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 350.3 | Num_heavy_atoms: | 24 |
| TPSA: | 145.27 | NumAromaticRings: | 3 |
